indole-3-propionic acid

Ligand id: 4709

Name: indole-3-propionic acid

Abbreviated name: IPA

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 53.09
Molecular weight 189.08
XLogP 1.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Proton-coupled Amino acid Transporter 1 Hs Inhibitor Inhibition 2.3 pKi - 1
pKi 2.3 (Ki 4.6x10-3 M) [1]